methyl 3-(2-amino-1,3-thiazol-5-yl)propanoate;hydrobromide

C7H11BrN2O2S — CID 44669004

IUPACmethyl 3-(2-amino-1,3-thiazol-5-yl)propanoate;hydrobromide
SMILESBr.COC(=O)CCc1cnc(N)s1
InChIInChI=1S/C7H10N2O2S.BrH/c1-11-6(10)3-2-5-4-9-7(8)12-5;/h4H,2-3H2,1H3,(H2,8,9);1H
InChIKeyDZPOXQBULQKKTI-UHFFFAOYSA-N
MW267.15 g/mol
LogP1.41
Rot. Bonds3

About methyl 3-(2-amino-1,3-thiazol-5-yl)propanoate;hydrobromide

methyl 3-(2-amino-1,3-thiazol-5-yl)propanoate;hydrobromide (PubChem CID 44669004) has the molecular formula C7H11BrN2O2S and a molecular weight of 267.15 g/mol. Its IUPAC name is methyl 3-(2-amino-1,3-thiazol-5-yl)propanoate;hydrobromide.

Molecular Properties

Compound Namemethyl 3-(2-amino-1,3-thiazol-5-yl)propanoate;hydrobromide
PubChem CID44669004
Molecular FormulaC7H11BrN2O2S
Molecular Weight267.15 g/mol
Exact Mass265.97
IUPAC Namemethyl 3-(2-amino-1,3-thiazol-5-yl)propanoate;hydrobromide
SMILESBr.COC(=O)CCc1cnc(N)s1
InChIInChI=1S/C7H10N2O2S.BrH/c1-11-6(10)3-2-5-4-9-7(8)12-5;/h4H,2-3H2,1H3,(H2,8,9);1H
InChIKeyDZPOXQBULQKKTI-UHFFFAOYSA-N
XLogP1.41
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.15
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-amino-1,3-thiazol-5-yl)propanoate;hydrobromide?
The IUPAC name of methyl 3-(2-amino-1,3-thiazol-5-yl)propanoate;hydrobromide (CID 44669004) is methyl 3-(2-amino-1,3-thiazol-5-yl)propanoate;hydrobromide.
What is the SMILES notation for methyl 3-(2-amino-1,3-thiazol-5-yl)propanoate;hydrobromide?
The canonical SMILES for methyl 3-(2-amino-1,3-thiazol-5-yl)propanoate;hydrobromide is Br.COC(=O)CCc1cnc(N)s1.
What is the InChIKey of methyl 3-(2-amino-1,3-thiazol-5-yl)propanoate;hydrobromide?
The InChIKey is DZPOXQBULQKKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S.BrH/c1-11-6(10)3-2-5-4-9-7(8)12-5;/h4H,2-3H2,1H3,(H2,8,9);1H.
What are the key properties of methyl 3-(2-amino-1,3-thiazol-5-yl)propanoate;hydrobromide?
methyl 3-(2-amino-1,3-thiazol-5-yl)propanoate;hydrobromide has a molecular weight of 267.15 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-amino-1,3-thiazol-5-yl)propanoate;hydrobromide is sourced from PubChem (CID 44669004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).